SCHEMBL5765653

SCHEMBL5765653

[CH2]c1c(OCC)ccc(-c2ccccc2)c1OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.43
ADORA2A P29274 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
THRB P10828 1/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 3/20 0.40
HSD17B10 Q99714 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28424906 0.84 ALDH1A1 (0.42) ADORA1ADORA2AADORA3THRBALDH1A1
SCHEMBL7494250 0.78 KDM4E (0.42) ALDH1A1KDM4EMAPTHSD17B10NPSR1
SCHEMBL5473492 0.78 ALDH1A1 (0.39) ADORA1ADORA2AADORA3THRBALDH1A1
SCHEMBL4054602 0.77 L3MBTL1 (0.49) ADORA1ADORA2AADORA3ALDH1A1KDM4E
SCHEMBL5247063 0.76 L3MBTL1 (0.40) ADORA1ADORA2AADORA3THRBALDH1A1
SCHEMBL13828076 0.76 ALDH1A1 (0.46) ADORA1ADORA2AADORA3ALDH1A1KDM4E
SCHEMBL27572284 0.76 L3MBTL1 (0.48) ADORA1ADORA2AADORA3ALDH1A1KDM4E
SCHEMBL21609908 0.76 ADORA1 (0.44) ADORA1ADORA2AADORA3ALDH1A1KDM4E
SCHEMBL29274196 0.75 ALDH1A1 (0.40) ADORA1ADORA2AADORA3THRBALDH1A1
SCHEMBL11610367 0.75 PTGDR2 (0.45) ADORA1ADORA2AADORA3ALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122666-B2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 US disclosed
EP-1377577-B1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO CO (JP) 2006-06-14 EP disclosed
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2005-12-22 US disclosed
EP-1070711-B1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 2004-04-14 EP disclosed
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
EP-1377577-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES Sankyo Company Limited (JP) 2004-01-07 EP disclosed
EP-1352906-A1 COMPOSITIONS FOR PREVENTION OR TREATMENT OF HEPATOPATHY Sankyo Company, Limited (JP) 2003-10-15 EP disclosed
EP-1243589-A1 Heteroaryl-substituted pyrrole derivates, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2002-09-25 EP disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 WO disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B ADORA1 862/4885ADORA2A 614/4885ADORA3 988/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A ADORA1 594/4885ADORA2A 351/4885ADORA3 541/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A ADORA1 655/4885ADORA2A 816/4885ADORA3 879/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.